6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4,6-triamine

C11H15N5O — CID 80832161

IUPAC6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4,6-triamine
SMILESCNc1cc(NCc2ccc(C)o2)nc(N)n1
InChIInChI=1S/C11H15N5O/c1-7-3-4-8(17-7)6-14-10-5-9(13-2)15-11(12)16-10/h3-5H,6H2,1-2H3,(H4,12,13,14,15,16)
InChIKeyNZRHSUUBGXCKLH-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.61
Rot. Bonds4

About 6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4,6-triamine

6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4,6-triamine (PubChem CID 80832161) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4,6-triamine
PubChem CID80832161
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4,6-triamine
SMILESCNc1cc(NCc2ccc(C)o2)nc(N)n1
InChIInChI=1S/C11H15N5O/c1-7-3-4-8(17-7)6-14-10-5-9(13-2)15-11(12)16-10/h3-5H,6H2,1-2H3,(H4,12,13,14,15,16)
InChIKeyNZRHSUUBGXCKLH-UHFFFAOYSA-N
XLogP1.61
TPSA89.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine
CID 80958124
4-N-[(5-methylfuran-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126428680
6-N-[(5-methylfuran-2-yl)methyl]pyridine-2,6-diamine
CID 80646710
4-N-[2-[5-[[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]methyl]furan-2-yl]ethyl]-2-N-[(5-methylfuran-2-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 130262056
2-chloro-6-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine
CID 62523397
6-N-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4,6-triamine
CID 80774344
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889
6-N-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]pyrimidine-2,4,6-triamine
CID 80830403
6-N-methyl-4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4,6-triamine
CID 80848372
2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine
CID 62523846
4-chloro-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine
CID 115468900
2-N-[(5-methylfuran-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80827784

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4,6-triamine (CID 80832161) is 6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4,6-triamine is CNc1cc(NCc2ccc(C)o2)nc(N)n1.
What is the InChIKey of 6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4,6-triamine?
The InChIKey is NZRHSUUBGXCKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-7-3-4-8(17-7)6-14-10-5-9(13-2)15-11(12)16-10/h3-5H,6H2,1-2H3,(H4,12,13,14,15,16).
What are the key properties of 6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4,6-triamine?
6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4,6-triamine has a molecular weight of 233.28 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80832161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).